SCHEMBL1786050

SCHEMBL1786050

CC1=C(C)C(=O)C(CCCC(=O)NCCc2ccccc2)=C(C)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
NCOR2 Q9Y618 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC7 Q8WUI4 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
F13A1 P00488 1/20 0.55
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RAB9A P51151 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1786020 0.88 GAA (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1659441 0.87 HPGD (0.59) LMNATAAR1HPGD
SCHEMBL1658955 0.87 SMN1; SMN2 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1658883 0.87 KMT2A (0.54) LMNAMEN1KMT2AHPGDTSHR
SCHEMBL1783366 0.86 SMN1; SMN2 (0.63) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1657680 0.86 TAAR1 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1658948 0.83 PLAAT3 (0.49) LMNAKMT2AL3MBTL1HPGDTSHR
SCHEMBL1659406 0.83 SMN1; SMN2 (0.47) TAAR1MEN1KMT2A
SCHEMBL21878898 0.82 TRPV1 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1783580 0.82 KMT2A (0.50) LMNAPKMMEN1KMT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 HDAC3 2005/4885HDAC1 1835/4885HDAC2 1118/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 HDAC3 2005/4885HDAC1 1835/4885HDAC2 1118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.